UCSF

ZINC01438135

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 29 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 9.96 -33.78 1 7 0 74 407.499 5
Lo Low (pH 4.5-6) 2.61 10.42 -44.76 2 7 1 75 408.507 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )